Machine learning predicts organic reaction performance: Using data from thousands of reactions, algorithm points chemists to the best reagents to use in an amination reaction.

The article focuses on the research done to use machine learning algorithms in predicting best conditions for a chemical reaction, even when the substrate has never been used before. Topics discussed include prediction of reactivity after Buchwald-Hartwig amination, decision making using random forest model, and facility for homogenous catalysis and chemical synthesis.